2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide

C16H14BrFN2O2 — CID 113172995

IUPAC2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrFN2O2/c1-11(21)20(15-8-2-12(17)3-9-15)10-16(22)19-14-6-4-13(18)5-7-14/h2-9H,10H2,1H3,(H,19,22)
InChIKeyCQZLMCWUDPVNHO-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.58
Rot. Bonds4

About 2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide

2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 113172995) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
PubChem CID113172995
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC Name2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrFN2O2/c1-11(21)20(15-8-2-12(17)3-9-15)10-16(22)19-14-6-4-13(18)5-7-14/h2-9H,10H2,1H3,(H,19,22)
InChIKeyCQZLMCWUDPVNHO-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
CID 113168349
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide
CID 113174445
ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113178882
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264
2-(N-acetyl-3-methylanilino)-N-(4-bromophenyl)acetamide
CID 113167580
2-(N-acetyl-4-bromoanilino)-N-(3-acetylphenyl)acetamide
CID 113173010
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-(N-acetyl-2,6-difluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113181479
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204
N-(4-bromophenyl)-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30259314

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide (CID 113172995) is 2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is CQZLMCWUDPVNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-11(21)20(15-8-2-12(17)3-9-15)10-16(22)19-14-6-4-13(18)5-7-14/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide?
2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 365.20 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113172995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).